N-(4-chlorophenyl)-3-(2-hydroxyethyl)-3-phenylpiperidine-1-carboxamide

C20H23ClN2O2 — CID 46882949

IUPACN-(4-chlorophenyl)-3-(2-hydroxyethyl)-3-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCCC(CCO)(c2ccccc2)C1
InChIInChI=1S/C20H23ClN2O2/c21-17-7-9-18(10-8-17)22-19(25)23-13-4-11-20(15-23,12-14-24)16-5-2-1-3-6-16/h1-3,5-10,24H,4,11-15H2,(H,22,25)
InChIKeyRIFYAWGYIHDAHH-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.29
Rot. Bonds4

About N-(4-chlorophenyl)-3-(2-hydroxyethyl)-3-phenylpiperidine-1-carboxamide

N-(4-chlorophenyl)-3-(2-hydroxyethyl)-3-phenylpiperidine-1-carboxamide (PubChem CID 46882949) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(2-hydroxyethyl)-3-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(2-hydroxyethyl)-3-phenylpiperidine-1-carboxamide
PubChem CID46882949
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-(4-chlorophenyl)-3-(2-hydroxyethyl)-3-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCCC(CCO)(c2ccccc2)C1
InChIInChI=1S/C20H23ClN2O2/c21-17-7-9-18(10-8-17)22-19(25)23-13-4-11-20(15-23,12-14-24)16-5-2-1-3-6-16/h1-3,5-10,24H,4,11-15H2,(H,22,25)
InChIKeyRIFYAWGYIHDAHH-UHFFFAOYSA-N
XLogP4.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl 3-(1-(4-chlorophenylcarbamoyl)-3-phenylpiperidin-3-yl)propanoate
CID 25138325
N-(4-chlorophenyl)-3-methyl-3-phenylpiperidine-1-carboxamide
CID 44555473
N-(4-chlorophenyl)-3-(2-cyanoethyl)-3-phenylpiperidine-1-carboxamide
CID 42644084
4-(1-(4-Chlorophenylcarbamoyl)-3-phenylpiperidin-3-yl)butanoic acid
CID 42644088
3-(1-(4-Chlorophenylcarbamoyl)-3-phenylpiperidin-3-yl)propanoic acid
CID 42646199
3-(3-amino-3-oxopropyl)-N-(4-chlorophenyl)-3-phenylpiperidine-1-carboxamide
CID 46882951
N-(4-chlorophenyl)-3-(3-(methylamino)-3-oxopropyl)-3-phenylpiperidine-1-carboxamide
CID 46882972
N-(4-chlorophenyl)-N'-{[1-(3-ethylbenzyl)-4-piperidinyl]methyl}urea
CID 1259441
N-(4-{[3-(3-chlorobenzyl)-3-(hydroxymethyl)piperidin-1-yl]methyl}phenyl)acetamide
CID 16192090
1-(3-Chlorophenyl)-3-((1-(3,3-dimethylbutyl)-4-phenylpiperidin-4-yl)methyl)urea
CID 44593418
2-(1-(4-Chlorophenylcarbamoyl)-3-phenylpiperidin-3-yl)acetic acid
CID 46882918
5-(1-(4-Chlorophenylcarbamoyl)-3-phenylpiperidin-3-yl)pentanoic acid
CID 46882919

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(2-hydroxyethyl)-3-phenylpiperidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-(2-hydroxyethyl)-3-phenylpiperidine-1-carboxamide (CID 46882949) is N-(4-chlorophenyl)-3-(2-hydroxyethyl)-3-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(2-hydroxyethyl)-3-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(2-hydroxyethyl)-3-phenylpiperidine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCCC(CCO)(c2ccccc2)C1.
What is the InChIKey of N-(4-chlorophenyl)-3-(2-hydroxyethyl)-3-phenylpiperidine-1-carboxamide?
The InChIKey is RIFYAWGYIHDAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c21-17-7-9-18(10-8-17)22-19(25)23-13-4-11-20(15-23,12-14-24)16-5-2-1-3-6-16/h1-3,5-10,24H,4,11-15H2,(H,22,25).
What are the key properties of N-(4-chlorophenyl)-3-(2-hydroxyethyl)-3-phenylpiperidine-1-carboxamide?
N-(4-chlorophenyl)-3-(2-hydroxyethyl)-3-phenylpiperidine-1-carboxamide has a molecular weight of 358.87 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(2-hydroxyethyl)-3-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 46882949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).